%chk=000078198.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078198

0 1
 O    2.680400       1.328700     -0.1479000    
 O    2.976700     -0.8551000      0.7063000    
 O   -3.552900     -0.7431000     -0.4040000    
 O   -2.411100       1.004100      0.7815000    
 C   0.1767000     -0.2326000     -4.4599999E-02
 C    1.326100     -0.4345000      -1.041400    
 C   -1.174000     -0.5557000     -0.6881000    
 C    2.700400     -7.2099999E-02 -0.4580000    
 C   -2.355300     -0.3317000      0.2676000    
 C    3.930300       1.791300      0.3464000    
 C    3.005000      -2.252000      0.4479000    
 C   -4.699900     -0.6628000      0.4323000    
 C   -2.602200       2.015700     -0.1980000    
 H   0.1789000      0.8039000      0.3105000    
 H   0.3195000     -0.8724000      0.8336000    
 H    1.315500      -1.467000      -1.407100    
 H    1.142100      0.2092000      -1.911400    
 H   -1.183600      -1.600200      -1.025600    
 H   -1.306700      4.5299999E-02  -1.595800    
 H    3.476700     -0.2495000      -1.213300    
 H   -2.217000     -0.9914000       1.133100    
 H    3.859800       2.872200      0.4956000    
 H    4.728400       1.591000     -0.3748000    
 H    4.163800       1.326000       1.308400    
 H    1.994100      -2.656200      0.3497000    
 H    3.472400      -2.742200       1.306900    
 H    3.600200      -2.480000     -0.4418000    
 H   -4.911000      0.3725000      0.7141000    
 H   -4.566600      -1.277700       1.327600    
 H   -5.557100      -1.047100     -0.1273000    
 H   -2.796400       2.957300      0.3232000    
 H   -3.458900       1.796400     -0.8412000    
 H   -1.700600       2.147900     -0.8019000    


%chk=000078198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078198

0 1
O 2.671515 1.240738 -0.070688
O 2.920774 -0.962655 0.720380
O -3.655531 -0.686132 -0.379335
O -2.550934 1.144467 0.752882
C 0.093018 -0.154940 -0.052539
C 1.238898 -0.416829 -1.052500
C -1.279650 -0.527505 -0.649971
C 2.632019 -0.135601 -0.473138
C -2.444012 -0.247821 0.307654
C 3.984101 1.673105 0.428144
C 3.406172 -2.302197 0.394083
C -4.839635 -0.694591 0.491246
C -2.666064 2.129966 -0.333331
H 0.105419 0.907248 0.249455
H 0.279515 -0.740541 0.868573
H 1.212127 -1.471558 -1.394509
H 1.111895 0.215385 -1.953431
H -1.311930 -1.605827 -0.898534
H -1.456686 0.017291 -1.597953
H 3.434102 -0.348047 -1.228402
H -2.324140 -0.790012 1.269675
H 3.883677 2.748804 0.638885
H 4.771575 1.515456 -0.339757
H 4.252811 1.124347 1.347471
H 2.618262 -2.929925 -0.071594
H 3.708749 -2.759314 1.349586
H 4.282599 -2.265161 -0.289151
H -5.042846 0.312481 0.900956
H -4.706514 -1.405613 1.333111
H -5.678361 -1.023903 -0.141803
H -2.958846 3.071831 0.156764
H -3.438965 1.828465 -1.065621
H -1.699412 2.276787 -0.854108


